N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

C14H24F2N2O4 — CID 75536576

IUPACN-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O
InChIInChI=1S/C14H24F2N2O4/c1-21-8-12(19)17-6-11-13(20)10(7-22-11)18-9-2-4-14(15,16)5-3-9/h9-11,13,18,20H,2-8H2,1H3,(H,17,19)/t10-,11-,13+/m1/s1
InChIKeyGSYSIOSTPDYEAI-WZRBSPASSA-N
MW322.35 g/mol
LogP0.04
Rot. Bonds6

About N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75536576) has the molecular formula C14H24F2N2O4 and a molecular weight of 322.35 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75536576
Molecular FormulaC14H24F2N2O4
Molecular Weight322.35 g/mol
Exact Mass322.17
IUPAC NameN-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O
InChIInChI=1S/C14H24F2N2O4/c1-21-8-12(19)17-6-11-13(20)10(7-22-11)18-9-2-4-14(15,16)5-3-9/h9-11,13,18,20H,2-8H2,1H3,(H,17,19)/t10-,11-,13+/m1/s1
InChIKeyGSYSIOSTPDYEAI-WZRBSPASSA-N
XLogP0.04
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide with MolForge

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Related Compounds

CID 75536499
CID 75536499
CID 75536517
CID 75536517
CID 75536536
CID 75536536
CID 134996076
CID 134996076
CID 75367056
CID 75367056
CID 75367073
CID 75367073
CID 75367074
CID 75367074
CID 75367075
CID 75367075
CID 75367077
CID 75367077
CID 75367114
CID 75367114
CID 75536573
CID 75536573
CID 75536575
CID 75536575

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (CID 75536576) is N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is GSYSIOSTPDYEAI-WZRBSPASSA-N. The full InChI is InChI=1S/C14H24F2N2O4/c1-21-8-12(19)17-6-11-13(20)10(7-22-11)18-9-2-4-14(15,16)5-3-9/h9-11,13,18,20H,2-8H2,1H3,(H,17,19)/t10-,11-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 322.35 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75536576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).